7-chloranyl-3-(2-morpholin-4-ylethyl)-5-phenyl-4H-1,3,4-benzotriazepine-2-thione

Systemtic Name: 7-chloranyl-3-(2-morpholin-4-ylethyl)-5-phenyl-4H-1,3,4-benzotriazepine-2-thione Openeye Name: 7-chloro-3-(2-morpholinoethyl)-5-phenyl-4H-1,3,4-benzotriazepine-2-thione CAS Name: 7-chloro-3-[2-(4-morpholinyl)ethyl]-5-phenyl-4H-1,3,4-benzotriazepine-2-thione IUPAC Name: 7-chloro-3-(2-morpholin-4-ylethyl)-5-phenyl-4H-1,3,4-benzotriazepine-2-thione Traditional Name: 7-chloro-3-(2-morpholinoethyl)-5-phenyl-4H-1,3,4-benzotriazepine-2-thione Formula: C20H21ClN4OS MolecularWeight: 400.92494

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCN2C(=S)N=C3C=CC(=CC3=C(N2)C4=CC=CC=C4)Cl

Isomeric SMILES

C1COCCN1CCN2C(=S)N=C3C=CC(=CC3=C(N2)C4=CC=CC=C4)Cl

InChI

InChI=1S/C20H21ClN4OS/c21-16-6-7-18-17(14-16)19(15-4-2-1-3-5-15)23-25(20(27)22-18)9-8-24-10-12-26-13-11-24/h1-7,14,23H,8-13H2